Ethoxymethylenemalononitrile Ethoxymethylenemalononiyrile
Structural formula
| Business number | 03G2 |
|---|---|
| Molecular formula | C6H6N2O |
| Molecular weight | 122.12 |
| label |
C2H5OCH=C(CN)2, Ethoxydicyanoethylene, Ethoxymethylenemalononitrile, Ethoxymethylene propylene glycol, Ethoxymethylenemalonide, Ethoxymethenylmalononitrile, aliphatic compounds |
Numbering system
CAS number:123-06-8
MDL number:MFCD00001854
EINECS number:204-597-0
RTECS number:OO3850000
BRN number:1634241
PubChem ID:None
Physical property data
None yet
Toxicological data
1, acute toxicity: mice through peritoneal cavity LD5O: 50mg/kg
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1, Molar refractive index:31.31
2, Molar volume (m3/mol):114.1
3, Isotonic specific volume (90.2K): 290.5
4, Surface Tension (dyne/cm): 41.9
5、 Polarizability (10-24cm3):12.41
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.5
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 56.8
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 182
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
ttom-alt: auto; mso-pagination: widow-orphan; tab-stops: list 36.0pt” align=left>5, Polarizability (10-24cm3):12.41
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.5
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 56.8
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 182
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
